(3S)-3-acetyl-N-(1-methylcyclohexyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide

C19H25N3O2 — CID 99797730

IUPAC(3S)-3-acetyl-N-(1-methylcyclohexyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCC(=O)[C@@H]1CC(C(=O)NC2(C)CCCCC2)=NN1c1ccccc1
InChIInChI=1S/C19H25N3O2/c1-14(23)17-13-16(21-22(17)15-9-5-3-6-10-15)18(24)20-19(2)11-7-4-8-12-19/h3,5-6,9-10,17H,4,7-8,11-13H2,1-2H3,(H,20,24)/t17-/m0/s1
InChIKeyKYUQCXCWFQHVJU-KRWDZBQOSA-N
MW327.43 g/mol
LogP3.05
Rot. Bonds4

About (3S)-3-acetyl-N-(1-methylcyclohexyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide

(3S)-3-acetyl-N-(1-methylcyclohexyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 99797730) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (3S)-3-acetyl-N-(1-methylcyclohexyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name(3S)-3-acetyl-N-(1-methylcyclohexyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide
PubChem CID99797730
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(3S)-3-acetyl-N-(1-methylcyclohexyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCC(=O)[C@@H]1CC(C(=O)NC2(C)CCCCC2)=NN1c1ccccc1
InChIInChI=1S/C19H25N3O2/c1-14(23)17-13-16(21-22(17)15-9-5-3-6-10-15)18(24)20-19(2)11-7-4-8-12-19/h3,5-6,9-10,17H,4,7-8,11-13H2,1-2H3,(H,20,24)/t17-/m0/s1
InChIKeyKYUQCXCWFQHVJU-KRWDZBQOSA-N
XLogP3.05
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-3-acetyl-N-(1-methylcyclohexyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetyl-N-(1-methylcyclohexyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of (3S)-3-acetyl-N-(1-methylcyclohexyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide (CID 99797730) is (3S)-3-acetyl-N-(1-methylcyclohexyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for (3S)-3-acetyl-N-(1-methylcyclohexyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for (3S)-3-acetyl-N-(1-methylcyclohexyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide is CC(=O)[C@@H]1CC(C(=O)NC2(C)CCCCC2)=NN1c1ccccc1.
What is the InChIKey of (3S)-3-acetyl-N-(1-methylcyclohexyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is KYUQCXCWFQHVJU-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14(23)17-13-16(21-22(17)15-9-5-3-6-10-15)18(24)20-19(2)11-7-4-8-12-19/h3,5-6,9-10,17H,4,7-8,11-13H2,1-2H3,(H,20,24)/t17-/m0/s1.
What are the key properties of (3S)-3-acetyl-N-(1-methylcyclohexyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide?
(3S)-3-acetyl-N-(1-methylcyclohexyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetyl-N-(1-methylcyclohexyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 99797730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).